1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride

C10H15ClINO — CID 160539213

IUPAC1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride
SMILESCc1cc(I)ccc1OCC(C)[NH3+].[Cl-]
InChIInChI=1S/C10H14INO.ClH/c1-7-5-9(11)3-4-10(7)13-6-8(2)12;/h3-5,8H,6,12H2,1-2H3;1H
InChIKeyYKTXFZKCXQIQRH-UHFFFAOYSA-N
MW327.59 g/mol
LogP-1.39
Rot. Bonds3

About 1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride

1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride (PubChem CID 160539213) has the molecular formula C10H15ClINO and a molecular weight of 327.59 g/mol. Its IUPAC name is 1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride.

Molecular Properties

Compound Name1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride
PubChem CID160539213
Molecular FormulaC10H15ClINO
Molecular Weight327.59 g/mol
Exact Mass326.99
IUPAC Name1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride
SMILESCc1cc(I)ccc1OCC(C)[NH3+].[Cl-]
InChIInChI=1S/C10H14INO.ClH/c1-7-5-9(11)3-4-10(7)13-6-8(2)12;/h3-5,8H,6,12H2,1-2H3;1H
InChIKeyYKTXFZKCXQIQRH-UHFFFAOYSA-N
XLogP-1.39
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.59
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(4-iodo-2-methylphenoxy)-N,N-dimethylpropan-1-amine;hydrochloride
CID 6457208
ethyl 2-(4-iodo-2-methylphenoxy)acetate
CID 57361058
(3S)-3-[(4-iodo-2-methylphenoxy)methyl]pyrrolidine;hydrochloride
CID 166175538
1-(2,4-diiodophenoxy)butan-2-ol
CID 22313365
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
1-[3-(4-iodo-2-methylphenoxy)propyl]imidazole
CID 2995325
1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene
CID 70806278
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107864
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
4-bromo-1-(3-bromo-2-methylpropoxy)-2-methylbenzene
CID 64995954
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride?
The IUPAC name of 1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride (CID 160539213) is 1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride.
What is the SMILES notation for 1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride?
The canonical SMILES for 1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride is Cc1cc(I)ccc1OCC(C)[NH3+].[Cl-].
What is the InChIKey of 1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride?
The InChIKey is YKTXFZKCXQIQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO.ClH/c1-7-5-9(11)3-4-10(7)13-6-8(2)12;/h3-5,8H,6,12H2,1-2H3;1H.
What are the key properties of 1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride?
1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride has a molecular weight of 327.59 g/mol, XLogP of -1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-2-methylphenoxy)propan-2-ylazanium chloride is sourced from PubChem (CID 160539213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).